7-nitro-4-phenyl-2-(2-phenylethynyl)xanthen-9-one

Systemtic Name: 7-nitro-4-phenyl-2-(2-phenylethynyl)xanthen-9-one Openeye Name: 7-nitro-4-phenyl-2-(2-phenylethynyl)xanthen-9-one CAS Name: 7-nitro-4-phenyl-2-(2-phenylethynyl)-9-xanthenone IUPAC Name: 7-nitro-4-phenyl-2-(2-phenylethynyl)xanthen-9-one Traditional Name: 7-nitro-4-phenyl-2-(2-phenylethynyl)xanthone Formula: C27H15NO4 MolecularWeight: 417.4123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C(=C2)C4=CC=CC=C4)OC5=C(C3=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C(=C2)C4=CC=CC=C4)OC5=C(C3=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H15NO4/c29-26-23-17-21(28(30)31)13-14-25(23)32-27-22(20-9-5-2-6-10-20)15-19(16-24(26)27)12-11-18-7-3-1-4-8-18/h1-10,13-17H